[2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate

C10H10F6O4 — CID 557061

IUPAC[2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1CCCC1OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O4/c11-9(12,13)7(17)19-4-5-2-1-3-6(5)20-8(18)10(14,15)16/h5-6H,1-4H2
InChIKeyLMTCTDTWNCNHKW-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.37
Rot. Bonds3

About [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate

[2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate (PubChem CID 557061) has the molecular formula C10H10F6O4 and a molecular weight of 308.17 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate
PubChem CID557061
Molecular FormulaC10H10F6O4
Molecular Weight308.17 g/mol
Exact Mass308.05
IUPAC Name[2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate
SMILESO=C(OCC1CCCC1OC(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O4/c11-9(12,13)7(17)19-4-5-2-1-3-6(5)20-8(18)10(14,15)16/h5-6H,1-4H2
InChIKeyLMTCTDTWNCNHKW-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate?
The IUPAC name of [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate (CID 557061) is [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate is O=C(OCC1CCCC1OC(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate?
The InChIKey is LMTCTDTWNCNHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O4/c11-9(12,13)7(17)19-4-5-2-1-3-6(5)20-8(18)10(14,15)16/h5-6H,1-4H2.
What are the key properties of [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate?
[2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate has a molecular weight of 308.17 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroacetyl)oxycyclopentyl]methyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 557061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).